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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-47275
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Cr', 'O', 'F']
  • Chemical System: Cr-F-O
  • Density: 4.215420118398183
  • Atomic Density: 0.08754356014791115
  • Unit Cell Volume: 137.0746172502596
  • Molar Volume: 6.8790219975348945
  • Full Formula: Cr4 O4 F4
  • Reduced Formula: CrOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm